1-Butylpiperazine - CAS 5610-49-1

Catalog:	BB029257
Product Name:	1-Butylpiperazine
CAS:	5610-49-1
Synonyms:	1-butylpiperazine

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Computed Properties

IUPAC Name:	1-butylpiperazine
Description:	1-Butylpiperazine (CAS# 5610-49-1) is a useful research chemical.
Molecular Weight:	142.24
Molecular Formula:	C8H18N2
Canonical SMILES:	CCCCN1CCNCC1
InChI:	InChI=1S/C8H18N2/c1-2-3-6-10-7-4-9-5-8-10/h9H,2-8H2,1H3
InChI Key:	YKSVXVKIYYQWBB-UHFFFAOYSA-N
Boiling Point:	89 °C
Purity:	> 98 %
Density:	0.866 g/cm³
MDL:	MFCD00039702
LogP:	0.95840

Publication Number	Title	Priority Date
CN-113264903-A	Phenothiazine compound and preparation method and application thereof	20210527
CN-112675927-A	Novel polypiperazinium functionalized anion exchange membrane and preparation method thereof	20201124
WO-2021210308-A1	Cleaning fluid and cleaning method	20200416
WO-2021210310-A1	Processing liquid, chemical/mechanical polishing method, and semiconductor substrate processing method	20200416
WO-2021205797-A1	Cleaning solution for semiconductor substrate	20200410

PMID	Publication Date	Title	Journal
22392765	20120201	Targeting Mnks for cancer therapy	Oncotarget
11202360	20010101	Determination by fluorimetric titration of the ionization constants of ciprofloxacin in solution and in the presence of liposomes	Photochemistry and photobiology

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GHS Hazard Statement:	H315 (97.62%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.146998583
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.146998583
Rotatable Bond Count:	3
Topological Polar Surface Area:	15.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9